环草酮

Name: 环草酮
Brand: 济南圣和化工有限公司

CAS 263401-02-1C17H16ClF3O6SMW 440.8

环草酮，CAS 登记号 263401-02-1，由济南圣和化工有限公司现货供应，可提供纯度按批次COA提供(不公开发布) 的规格，下游主要用于化工中间体。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。

规格参数

CAS号263401-02-1

分子式C17H16ClF3O6S

分子量440.8

熔点123 °C

LogPlog Kow = -1.37 (pH 9.0, 23 °C); -1.09 (pH 7, 24 °C); 2.16 (pH 2.0, 23 °C)

纯度按批次COA提供(不公开发布)

包装按订单/批次确认(不公开发布)

应用领域化工中间体

类别化工中间体

用途与场景

化工中间体

包装与供货

包装规格按订单/批次确认(不公开发布)

纯度规格按批次COA提供(不公开发布)

储存条件密封、阴凉干燥处保存

供货周期现货/按订单安排

文件与支持

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常见问题

在哪里能查到环草酮的 CAS 号？

本页已列出环草酮的 CAS 号：263401-02-1，可与随货 COA 核对。

可以提供哪些规格和包装？

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环草酮一般用在什么产品里？

主要涉及化工中间体。

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PubChem 公开数据

Description

Tembotrione · CAS 263401-02-1 · C17H16ClF3O6S. UNII WA5UZ202KS. Melting Point: 123 °C; Melting Point: MP: 117 °C; Density: 1.56 at 20 °C.

Identification

CAS Registry Number	263401-02-1
PubChem CID	11556911
Molecular formula	C17H16ClF3O6S
IUPAC name	2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione
UNII (FDA)	WA5UZ202KS

Computed Descriptors

Molecular Weight	440.8
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	440.0308216
Monoisotopic Mass	440.0308216
Topological Polar Surface Area	103
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Melting Point	123 °C
Melting Point	MP: 117 °C
Density	1.56 at 20 °C
Vapor Pressure	1.1X10-5 mPa (20 °C) /SRC: 8.3X10-11mm Hg at 20 °C/
LogP	log Kow = -1.37 (pH 9.0, 23 °C); -1.09 (pH 7, 24 °C); 2.16 (pH 2.0, 23 °C)
pH	pH 3.63 at 24 °C
Dissociation Constants	pKa = 3.2

Physical description & handling notes

Beige powder
In DMSO and methylene chloride >600, acetone 300-600, ethyl acetate 180.2, toluene 75.7, hexane 47.6, ethanol 8.2 (all in mg/L, 20 °C)
In water, 0.22 (pH 4), 28.3 (pH 7) (both in g/L, 20 °C)
185.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5047037]
188.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5047037]
189.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5047037]

GHS Hazard Classification

Reported hazard statements	H317, H373, H400, H410, H361 (19%)

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]

Documented Uses

Herbicides (benzoylcyclohexanedione herbicides)
Applied post-emergence to control a wide range of dicotyledonous and moncotyledonous weed species in maize
Mesotrione is prepared by reaction of 3-methylmercaptonitrobenzene with acetyl chloride in the presence of aluminum trichloride yielding the corresponding ketone, which is oxidized with sodium oxychloride giving the corresponding 4-methylsulfonyl compound, which in turn is condensed with cyclohexane-1,3-dione to give the corresponding enol ester. The latter is rearranged to the desired product with potassium cyanide in the presence of triethylamine. ... Tembotrione can be synthesized according to the ... procedure
In a series of metabolism studies, [phenyl-U-14C]-AE 0172747 (/tembotrione/ Batch # Z 31053-4; radiochemical purity 99.5%) or [cyclohexyl-UL-14C]-AE 0172747 (/tembotrione/ Batch #s BECH 1517 or BECH 1523; radiochemical purity >98%) in PEG 200 was administered by oral gavage to groups of four Wistar rats/sex/dose at doses of 5 or 1000 mg/kg. The concentration time-courses of radioactivity in blood and plasma were calculated, the concentrations of radioactivity in tissues and excreta were determined, and metabolites

Synonyms

Tembotrione; 335104-84-2; DTXSID5047037; 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione; WA5UZ202KS; 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione; AE-0172747; DTXCID3027037; CHEBI:132273; 2-(2-CHLORO-4-MESYL-3-((2,2,2-TRIFLUOROETHOXY)METHYL)BENZOYL)CYCLOHEXANE-1,3-DIONE; 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione; 2-(2-CHLORO-4-(METHYLSULFONYL)-3-((2,2,2-TRIFLUOROETHOXY)METHYL)BENZOYL)-1,3-CYCLOHEXANEDIONE; 2-(2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl)cyclohexane-1,3-dione; RefChem:187796; 608-879-8; Tembotrione [ISO]

Frequently Asked Questions

What are the CAS number and molecular formula of Tembotrione?

CAS 263401-02-1; molecular formula C17H16ClF3O6S; molecular weight — g/mol.

What other names is Tembotrione known by?

Tembotrione, 335104-84-2, DTXSID5047037, 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione, WA5UZ202KS, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione.

Is Tembotrione classified as hazardous?

Hazard statements reported: H317, H373, H400, H410, H361.

What are the key physical properties of Tembotrione?

Melting Point: 123 °C; Melting Point: MP: 117 °C; Density: 1.56 at 20 °C; Vapor Pressure: 1.1X10-5 mPa (20 °C) /SRC: 8.3X10-11mm Hg at 20 °C/.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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